HMDB0266501 RDKit 3D PA(2:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 76 75 0 0 0 0 0 0 0 0999 V2000 -10.7995 -1.2241 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8680 -0.2434 -1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7984 -0.8421 -2.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8269 -1.7948 -1.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8664 -1.5404 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3732 -1.2913 0.5354 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1645 -0.1946 0.6694 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2802 -1.3250 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1304 -0.6428 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 -0.7299 2.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 -0.1235 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 0.7137 1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 0.1300 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 0.8436 0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 2.2343 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 3.1038 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 3.7811 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 3.8369 1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.3641 0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 1.9277 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 1.5164 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 2.3526 0.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3489 0.2226 -0.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6998 -0.1534 -0.7996 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6613 -0.5633 -2.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8296 -1.0113 -2.7827 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4608 -2.1893 -2.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7664 -2.5310 -3.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9982 -3.0415 -1.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1512 -1.1460 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9933 -0.5042 1.4723 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -1.5443 2.7116 P 0 0 0 0 0 5 0 0 0 0 0 0 6.3910 -2.5963 2.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9001 -2.3644 2.3039 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6053 -0.6754 4.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2020 -2.0102 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5075 -1.6741 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2928 -0.6483 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5983 0.2068 -2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6941 0.6484 -1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2371 0.0389 -2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3194 -1.3589 -3.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3263 -2.8172 -1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1714 -2.0983 -2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1625 -0.6798 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 -2.3900 -0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0356 -2.1743 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5938 0.5606 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3692 -1.8835 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0796 -0.0974 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3215 -1.3336 3.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -0.2049 3.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 0.6035 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 1.7739 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.9188 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6152 0.3618 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 2.3473 1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 2.7026 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 3.1132 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 4.3983 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 4.9570 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 3.3870 2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 4.0028 -0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 3.4972 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1099 1.8422 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 1.2885 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 0.7609 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8082 -1.3014 -2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3286 0.3584 -2.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5142 -2.6016 -2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0208 -1.7446 -3.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 -3.5051 -3.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2376 -1.3815 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 -2.0189 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6842 -1.7488 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 0.3071 3.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 24 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 1 7 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 24 67 1 6 25 68 1 0 25 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 30 73 1 0 30 74 1 0 34 75 1 0 35 76 1 0 M END